FN Archimer Export Format PT J TI Raman Characterization of Phenyl-Derivatives: From Primary Amine to Diazonium Salts BT AF BETELU, S TIJUNELYTE, I BOUBEKEUR LECAQUE, L IGNATIADIS, I SCHNEPF, AC GUENIN, E BOUCHEMAL, N FELIDJ, N RINNERT, Emmanuel LAMY DE LA CHAPELLE, M AS 1:1;2:2;3:3;4:;5:1;6:2;7:2;8:3;9:4;10:2; FF 1:;2:;3:;4:;5:;6:;7:;8:;9:PDG-REM-RDT-LDCM;10:; C1 BRGM, Water Environment and Eco- Technology Division, F-45060 Orléans Cedex 02, France University Paris 13, Sorbonne Paris Cité, CSPBAT laboratory, UMR 7244 CNRS, UFR SMBH, 74, Rue Marcel Cachin, 93017 Bobigny, France University Paris Diderot, Sorbonne Paris Cité, ITODYS, UMR 7086 CNRS, 15 rue J-A de Baïf, 75205 Paris Cedex 13, France IFREMER, Brittany Center, Measurements, Detection and Sensors Laboratory, CS10070, 29280 Plouzané, France C2 BRGM, FRANCE UNIV PARIS 13, FRANCE UNIV PARIS DIDEROT, FRANCE IFREMER, FRANCE SI BREST SE PDG-REM-RDT-LDCM TC 0 UR https://archimer.ifremer.fr/doc/00391/50262/50889.pdf LA English DT Article DE ;Phenyl-amines;Diazonium salts;Synthesis and characterization;Raman;DFT calculations AB The objective of the present work is to use Raman spectroscopy for characterizing, the fate of phenyl-derivatives, from phenyl-amines to aryl-diazonium derivatives (ADD). Four ADD were investigated: (i) benzene diazoniumtetrafluoroborate (DS), (ii) 4-decyl benzene diazoniumtetrafluoroborate (DS-C10H21), (iii) 4-carboxybenzene diazoniumtetrafluoroborate (DS-COOH) and (iv) 4-(aminoethyl) benzene diazoniumtetrafluoroborate (DS-(CH2)2NH2). Raman investigation of the above ADD confirmed the existence of an N≡N bond stretching in the range of 2285-2305 cm-1. Moreover, the strong band related to CH in plane-bending and C-N-stretching modes in the 1073-1080 cm-1 range, is a signature of phenyl derivatives stemming from ADD. Furthermore, we analyzed and discuss the H-N- (ring) symmetric stretching modes and the ring-N, as well as the benzene-ring vibrational modes, the C-H related vibrations and the functions in para-position carried by the aromatic ring. The effect of structural changes, the conformational rearrangements from amines to ADD and the influence of the substituent located in the para-position on Raman modes, were examined as well. Finally, Raman experiments supported by Density Functional Theory (DFT) modeling allowed us to determine the crystalline structure of DS-COOH. PY 2017 SO Journal of Organic & Inorganic Chemistry SN 2472-1123 PU iMedPub Journals VL 3 IS 1 BP 1 EP 10 DI 10.21767/2472-1123.100021 ID 50262 ER EF